1-[1-(1-piperazin-1-ylprop-2-enyldisulfanyl)prop-2-enyl]piperazine

C14H26N4S2 — CID 87309941

IUPAC1-[1-(1-piperazin-1-ylprop-2-enyldisulfanyl)prop-2-enyl]piperazine
SMILESC=CC(SSC(C=C)N1CCNCC1)N1CCNCC1
InChIInChI=1S/C14H26N4S2/c1-3-13(17-9-5-15-6-10-17)19-20-14(4-2)18-11-7-16-8-12-18/h3-4,13-16H,1-2,5-12H2
InChIKeyJFJIGFVMBYCFDN-UHFFFAOYSA-N
MW314.52 g/mol
LogP1.20
Rot. Bonds7

About 1-[1-(1-piperazin-1-ylprop-2-enyldisulfanyl)prop-2-enyl]piperazine

1-[1-(1-piperazin-1-ylprop-2-enyldisulfanyl)prop-2-enyl]piperazine (PubChem CID 87309941) has the molecular formula C14H26N4S2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 1-[1-(1-piperazin-1-ylprop-2-enyldisulfanyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[1-(1-piperazin-1-ylprop-2-enyldisulfanyl)prop-2-enyl]piperazine
PubChem CID87309941
Molecular FormulaC14H26N4S2
Molecular Weight314.52 g/mol
Exact Mass314.16
IUPAC Name1-[1-(1-piperazin-1-ylprop-2-enyldisulfanyl)prop-2-enyl]piperazine
SMILESC=CC(SSC(C=C)N1CCNCC1)N1CCNCC1
InChIInChI=1S/C14H26N4S2/c1-3-13(17-9-5-15-6-10-17)19-20-14(4-2)18-11-7-16-8-12-18/h3-4,13-16H,1-2,5-12H2
InChIKeyJFJIGFVMBYCFDN-UHFFFAOYSA-N
XLogP1.20
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-piperazin-1-ylprop-2-enyldisulfanyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[1-(1-piperazin-1-ylprop-2-enyldisulfanyl)prop-2-enyl]piperazine (CID 87309941) is 1-[1-(1-piperazin-1-ylprop-2-enyldisulfanyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[1-(1-piperazin-1-ylprop-2-enyldisulfanyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[1-(1-piperazin-1-ylprop-2-enyldisulfanyl)prop-2-enyl]piperazine is C=CC(SSC(C=C)N1CCNCC1)N1CCNCC1.
What is the InChIKey of 1-[1-(1-piperazin-1-ylprop-2-enyldisulfanyl)prop-2-enyl]piperazine?
The InChIKey is JFJIGFVMBYCFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S2/c1-3-13(17-9-5-15-6-10-17)19-20-14(4-2)18-11-7-16-8-12-18/h3-4,13-16H,1-2,5-12H2.
What are the key properties of 1-[1-(1-piperazin-1-ylprop-2-enyldisulfanyl)prop-2-enyl]piperazine?
1-[1-(1-piperazin-1-ylprop-2-enyldisulfanyl)prop-2-enyl]piperazine has a molecular weight of 314.52 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-piperazin-1-ylprop-2-enyldisulfanyl)prop-2-enyl]piperazine is sourced from PubChem (CID 87309941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).